1-pyridin-2-ylazetidin-3-ol;hydrochloride

C8H11ClN2O — CID 155943750

IUPAC1-pyridin-2-ylazetidin-3-ol;hydrochloride
SMILESCl.OC1CN(c2ccccn2)C1
InChIInChI=1S/C8H10N2O.ClH/c11-7-5-10(6-7)8-3-1-2-4-9-8;/h1-4,7,11H,5-6H2;1H
InChIKeyZYNLUJGUNRIWPI-UHFFFAOYSA-N
MW186.64 g/mol
LogP0.68
Rot. Bonds1

About 1-pyridin-2-ylazetidin-3-ol;hydrochloride

1-pyridin-2-ylazetidin-3-ol;hydrochloride (PubChem CID 155943750) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 1-pyridin-2-ylazetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-pyridin-2-ylazetidin-3-ol;hydrochloride
PubChem CID155943750
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name1-pyridin-2-ylazetidin-3-ol;hydrochloride
SMILESCl.OC1CN(c2ccccn2)C1
InChIInChI=1S/C8H10N2O.ClH/c11-7-5-10(6-7)8-3-1-2-4-9-8;/h1-4,7,11H,5-6H2;1H
InChIKeyZYNLUJGUNRIWPI-UHFFFAOYSA-N
XLogP0.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylazetidin-3-ol;hydrochloride?
The IUPAC name of 1-pyridin-2-ylazetidin-3-ol;hydrochloride (CID 155943750) is 1-pyridin-2-ylazetidin-3-ol;hydrochloride.
What is the SMILES notation for 1-pyridin-2-ylazetidin-3-ol;hydrochloride?
The canonical SMILES for 1-pyridin-2-ylazetidin-3-ol;hydrochloride is Cl.OC1CN(c2ccccn2)C1.
What is the InChIKey of 1-pyridin-2-ylazetidin-3-ol;hydrochloride?
The InChIKey is ZYNLUJGUNRIWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c11-7-5-10(6-7)8-3-1-2-4-9-8;/h1-4,7,11H,5-6H2;1H.
What are the key properties of 1-pyridin-2-ylazetidin-3-ol;hydrochloride?
1-pyridin-2-ylazetidin-3-ol;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylazetidin-3-ol;hydrochloride is sourced from PubChem (CID 155943750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).